2-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-N-prop-2-enylbenzamide

C23H27N3O2 — CID 46037766

IUPAC2-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1N1CCC(NC(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C23H27N3O2/c1-3-13-24-23(28)20-9-4-5-10-21(20)26-14-11-19(12-15-26)25-22(27)18-8-6-7-17(2)16-18/h3-10,16,19H,1,11-15H2,2H3,(H,24,28)(H,25,27)
InChIKeyUDWXNLDGKSZLRJ-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.31
Rot. Bonds6

About 2-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-N-prop-2-enylbenzamide

2-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-N-prop-2-enylbenzamide (PubChem CID 46037766) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-N-prop-2-enylbenzamide
PubChem CID46037766
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1N1CCC(NC(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C23H27N3O2/c1-3-13-24-23(28)20-9-4-5-10-21(20)26-14-11-19(12-15-26)25-22(27)18-8-6-7-17(2)16-18/h3-10,16,19H,1,11-15H2,2H3,(H,24,28)(H,25,27)
InChIKeyUDWXNLDGKSZLRJ-UHFFFAOYSA-N
XLogP3.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038566
N-[1-[2-(prop-2-enylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46156126
2-[4-[(3-chlorophenyl)carbamoylamino]piperidin-1-yl]-N-prop-2-enylbenzamide
CID 46156249
2-[4-(3-phenylpropanoylamino)piperidin-1-yl]-N-prop-2-enylbenzamide
CID 46037750
N-(3-methylbutan-2-yl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038598
3-methyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 110735842
N-[3-(dimethylamino)propyl]-2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]benzamide
CID 42848136
N-benzyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038545
N-prop-2-enyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide
CID 42848173
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93324056
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-(3-methylbutan-2-yl)benzamide
CID 46037800
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-2-methylbutyl]benzamide
CID 93324251

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-N-prop-2-enylbenzamide (CID 46037766) is 2-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1N1CCC(NC(=O)c2cccc(C)c2)CC1.
What is the InChIKey of 2-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-N-prop-2-enylbenzamide?
The InChIKey is UDWXNLDGKSZLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-3-13-24-23(28)20-9-4-5-10-21(20)26-14-11-19(12-15-26)25-22(27)18-8-6-7-17(2)16-18/h3-10,16,19H,1,11-15H2,2H3,(H,24,28)(H,25,27).
What are the key properties of 2-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-N-prop-2-enylbenzamide?
2-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-N-prop-2-enylbenzamide has a molecular weight of 377.49 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 46037766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).